Geometry & MOs

Info

ID:	327143
PubChem CID:	126689091
Reduced:	FNO4H26C27 (1)
Stoich.:	ABC4D26E27 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-4-[(3E)-3-hydroxyiminobutanoyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(C=CC(=C2)OC)F)CC3=CC=C(C=C3)N4CC(=O)C[C@@H]4CC(=O)O

DOS

IR

Vibrations